1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine

C14H21ClN2O — CID 82305327

IUPAC1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine
SMILESCOc1ccc(CN2CCNC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2)10-17(7-6-16-14)9-11-4-5-13(18-3)12(15)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyBXCXJVGQWLQPIQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.53
Rot. Bonds3

About 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine

1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine (PubChem CID 82305327) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine
PubChem CID82305327
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine
SMILESCOc1ccc(CN2CCNC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2)10-17(7-6-16-14)9-11-4-5-13(18-3)12(15)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyBXCXJVGQWLQPIQ-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
1-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 103293499
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
1-[(2,4-dimethoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64951779
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64840494
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine (CID 82305327) is 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine is COc1ccc(CN2CCNC(C)(C)C2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine?
The InChIKey is BXCXJVGQWLQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2)10-17(7-6-16-14)9-11-4-5-13(18-3)12(15)8-11/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine?
1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine has a molecular weight of 268.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 82305327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).